Open AccessVDB Analysis for Zeolites LTA Structures
Author(s) -
K. Julietraja,
Vineet Padmanabhan,
Chellamani Perumal
Publication year - 2021
Publication title -
biointerface research in applied chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.216
H-Index - 11
ISSN - 2069-5837
DOI - 10.33263/briac125.69606977
Subject(s) - entropy (arrow of time) , chemistry , physics , thermodynamics
A distinct number used to characterize a molecular graph's chemical structure and significant chemical properties is a topological index. Quite a number of Vertex degree-based (VDB) indices have been introduced to investigate the structure of molecular compounds. Zeolites are a widely used family of aluminosilicates that have applications in chemistry, medicine, and commercial production due to their advantageous chemical properties. To aid in their creation, computer simulations have found millions of possible specific structures for zeolites. However, only a small percentage of these structures have been created. To aid in this discovery process, we extend the literature by computing the analytical expressions of VDB indices, VDB entropy measures, and VDB irregularity indices.